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Compound Detail

CHEMBL1718241

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C(=Cc1c[nH]c2ccccc12)c1ccc2ccccc2n1

Basic Information

ChEMBL ID CHEMBL1718241
Phase Preclinical
Structure Type MOL
InChI Key XBSNGDJJHAYDLC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

270.3
MW (Da)
4.89
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14N2
MW 270.34
Aromatic Rings 4
Heavy Atoms 21
NP-Likeness -0.45

Activity Summary

IC50 1 meas. best 4.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nuclear receptor subfamily 0 group B member 1
CHEMBL1795094
IC50 4.99 4.99 10314.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine